Time-dependent density-functional description of nuclear dynamics
نویسندگان
چکیده
منابع مشابه
Time-dependent density functional molecular dynamics simulation
We present a scheme to simulate the coupled electron-ion dynamics within the density functional theory. In our scheme, letting the electrons and ions follow the time-dependent Kohn-Sham equation and the Newton equation, respectively, ultrafast dynamics induced by electronic excitation is investigated. We first show approximations made in that simulation to clarify the advantage and limitation o...
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ژورنال
عنوان ژورنال: Reviews of Modern Physics
سال: 2016
ISSN: 0034-6861,1539-0756
DOI: 10.1103/revmodphys.88.045004